SCHEMBL3356937

SCHEMBL3356937

O=C(O)N1CCC(CCOc2ccc(OCc3ccccc3)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 1/20 0.60
TEAD3 Q99594 1/20 0.60
KDM4E B2RXH2 6/20 0.54
HTT P42858 2/20 0.53
ALDH1A1 P00352 3/20 0.53
LMNA P02545 1/20 0.53
CHRM4 P08173 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
NPSR1 Q6W5P4 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
NPY1R P25929 1/20 0.50
TP53 P04637 1/20 0.49
KMT2A Q03164 1/20 0.49
LTA4H P09960 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3830625 0.89 TEAD1 (0.73) TEAD1TEAD3ALDH1A1LMNASMN1; SMN2
SCHEMBL12813411 0.87 TP53 (0.51) KDM4EALDH1A1LMNACHRM4SMN1; SMN2
SCHEMBL3358504 0.86 YAP1 (0.65) TEAD1TEAD3KDM4E
SCHEMBL22319836 0.85 TEAD1 (0.46) TEAD1TEAD3KDM4EALDH1A1LMNA
SCHEMBL22117759 0.84 CHRM4 (0.49) TEAD1TEAD3ALDH1A1CHRM4SMN1; SMN2
SCHEMBL5208507 0.83 TEAD1 (0.57) TEAD1TEAD3KDM4EHTTALDH1A1
SCHEMBL28064208 0.83 TEAD1 (0.57) TEAD1TEAD3KDM4EALDH1A1SMN1; SMN2
SCHEMBL27670250 0.83 PARP10 (0.61) CHRM4NPC1RAB9ALTA4H
SCHEMBL22319868 0.82 KMT2A (0.50) TEAD1TEAD3KDM4EHTTALDH1A1
SCHEMBL19610351 0.82 FAAH (0.52) KDM4EHTTALDH1A1LMNASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130184313-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2013-07-18 US disclosed
US-8445684-B2 Nicotinic acetylcholine receptor ligands and the uses thereof PsycoGenics Inc. (US) 2013-05-21 US disclosed
US-20100152450-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF PSYCHOGENICS, INC. (US) 2010-06-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100152450-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF CHRNG, CHRNA5, CHRNA2 TEAD1 4723/4885TEAD3 3930/4885KDM4E 2600/4885
US-20130184313-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF CHRNG, CHRNA5, CHRNA2 TEAD1 4723/4885TEAD3 3930/4885KDM4E 2600/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.